YRe2SiH8
Alexandria ALEXAlex-ID: agm007452553 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
SiH20 YH3 Re8H Re2Si
2025-04-28 18:43:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452553).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007452553
data_agm007452553
_cell_length_a 4.33766
_cell_length_b 4.34431
_cell_length_c 6.36507
_cell_angle_alpha 70.64877
_cell_angle_beta 70.86578
_cell_angle_gamma 62.27463
_cell_volume 97.98637
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.50000 0.50000 0.50000 1.00000
Re1 Re 0.28411 0.28221 0.12920 1.00000
Re2 Re 0.71589 0.71779 0.87080 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
H1 H 0.94959 0.49984 0.65045 1.00000
H2 H 0.52158 0.51784 0.14572 1.00000
H3 H 0.05041 0.50016 0.34955 1.00000
H4 H 0.47842 0.48216 0.85428 1.00000
H5 H 0.50781 0.04676 0.34787 1.00000
H6 H 0.49219 0.95324 0.65213 1.00000
H7 H 0.03714 0.03361 0.29525 1.00000
H8 H 0.96286 0.96639 0.70475 1.00000
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